MolProp/AtomProperty.hpp File Reference

Definition of constants in namespace CDPL::MolProp::AtomProperty. More...

#include "CDPL/MolProp/APIPrefix.hpp"

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Base
	Contains core framework classes and functions.
	CDPL::MolProp
	Contains classes and functions related to the calculation/preciction of physicochemical molecular properties.
	CDPL::MolProp::AtomProperty
	Provides keys for MolProp-specific Chem::Atom properties.

Variables
CDPL_MOLPROP_API const Base::LookupKey	CDPL::MolProp::AtomProperty::HYDROPHOBICITY
	Specifies the calculated atom hydrophobicity contribution. More...
CDPL_MOLPROP_API const Base::LookupKey	CDPL::MolProp::AtomProperty::PEOE_SIGMA_CHARGE
	Specifies the calculated PEOE sigma charge of the atom. More...
CDPL_MOLPROP_API const Base::LookupKey	CDPL::MolProp::AtomProperty::PEOE_SIGMA_ELECTRONEGATIVITY
	Specifies the calculated PEOE sigma electronegativity of the atom. More...
CDPL_MOLPROP_API const Base::LookupKey	CDPL::MolProp::AtomProperty::MHMO_PI_CHARGE
	Specifies the calculated MHMO pi charge of the atom. More...
CDPL_MOLPROP_API const Base::LookupKey	CDPL::MolProp::AtomProperty::H_BOND_DONOR_TYPE
	Specifies the H-bond donor atom type (see namespace MolProp::HBondDonorAtomType). More...
CDPL_MOLPROP_API const Base::LookupKey	CDPL::MolProp::AtomProperty::H_BOND_ACCEPTOR_TYPE
	Specifies the H-bond acceptor atom type (see namespace MolProp::HBondAcceptorAtomType). More...

Detailed Description

Definition of constants in namespace CDPL::MolProp::AtomProperty.